input word = C00058223

Metabolite InformationStructural formula
Name Tropeoside B1
Formula C38H62O13
Mw 726.41904207
CAS RN 847699-99-4
C_ID C00058223
InChIKey DUJRFLRNALOUEO-OHUDJOQMSA-N
InChICode InChI=1S/C38H62O13/c1-17(15-47-34-33(45)31(43)29(41)19(3)49-34)8-11-38(46)18(2)28-26(51-38)14-24-22-7-6-20-12-21(39)13-27(37(20,5)23(22)9-10-36(24,28)4)50-35-32(44)30(42)25(40)16-48-35/h6,17-19,21-35,39-46H,7-16H2,1-5H3/t17-,18+,19+,21-,22-,23+,24+,25-,26+,27-,28+,29+,30+,31-,32-,33-,34-,35+,36+,37+,38-/m1/s1
SMILES C[C@H](CC[C@@]1(O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)C[C@@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium cepa Ref.
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